Propane,1,2-dibromo-3-isothiocyanato- supplier

Name
2,3-DIBROMOPROPYL ISOTHIOCYANATE
EINECS
CAS No. 51784-10-2
Article Data3
CAS DataBase
Density 1.91 g/cm³
Solubility
Melting Point
Formula C₄H₅Br₂NS
Boiling Point 271.8 °C at 760 mmHg
Molecular Weight 258.964
Flash Point 118.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols T
Synonyms Isothiocyanicacid, 2,3-dibromopropyl ester (7CI);2,3-Dibromopropyl isothiocyanate;NSC158369;
PSA 44.45000
LogP 2.24760

Propane,1,2-dibromo-3-isothiocyanato- Specification

The CAS registry number of Propane,1,2-dibromo-3-isothiocyanato- is 51784-10-2. This chemical is also named as 2,3-Dibromopropyl isothiocyanate. In addition, its molecular formula is C₄H₅Br₂NS and molecular weight is 258.96. Its systematic name and IUPAC name are the same which is called 1,2-dibromo-3-isothiocyanatopropane. This chemical is toxic if swallowed.

Physical properties about Propane,1,2-dibromo-3-isothiocyanato- are: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.03; (4)ACD/LogD (pH 7.4): 3.03; (5)ACD/BCF (pH 5.5): 118.69; (6)ACD/BCF (pH 7.4): 118.69; (7)ACD/KOC (pH 5.5): 1062.84; (8)ACD/KOC (pH 7.4): 1062.84; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.604; (13)Molar Refractivity: 46.46 cm³; (14)Molar Volume: 135 cm³; (15)Surface Tension: 42.2 dyne/cm; (16)Density: 1.91 g/cm³; (17)Flash Point: 118.2 °C; (18)Enthalpy of Vaporization: 48.95 kJ/mol; (19)Boiling Point: 271.8 °C at 760 mmHg; (20)Vapour Pressure: 0.0105 mmHg at 25°C.

Uses of Propane,1,2-dibromo-3-isothiocyanato-: it can be used to produce (5-bromomethyl-4,5-dihydro-thiazol-2-yl)-phenyl-amine; hydrobromide and 2-anilino-5-bromo-5,6-dihydro-4H-1,3-thiazine hydrorobromide. It will need reagent 0.5 M aq. NaOH and solvent diethyl ether with reaction time of hours. The yield is about 26 %.

Propane,1,2-dibromo-3-isothiocyanato- can be used to produce (5-bromomethyl-4,5-dihydro-thiazol-2-yl)-phenyl-amine; hydrobromide and 2-anilino-5-bromo-5,6-dihydro-4H-1,3-thiazine hydrorobromide

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(CBr)C/N=C=S
(2)InChI: InChI=1/C4H5Br2NS/c5-1-4(6)2-7-3-8/h4H,1-2H2
(3)InChIKey: AFQQAAKQKFCSPQ-UHFFFAOYAQ

Product Name

2,3-DIBROMOPROPYL ISOTHIOCYANATE

Propane,1,2-dibromo-3-isothiocyanato- Specification

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